CID 97347

17266-64-7

Structural Information

Molecular Formula
C7H7NO
SMILES
C1CN2C=CC=C2C1=O
InChI
InChI=1S/C7H7NO/c9-7-3-5-8-4-1-2-6(7)8/h1-2,4H,3,5H2
InChIKey
JXGLKOLYBRHCBH-UHFFFAOYSA-N
Compound name
2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

57
Patents

121.052765 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 121.9
[M+Na]+ 144.04198 131.7
[M-H]- 120.04549 125.6
[M+NH4]+ 139.08659 147.7
[M+K]+ 160.01592 130.2
[M+H-H2O]+ 104.05002 116.8
[M+HCOO]- 166.05097 146.3
[M+CH3COO]- 180.06662 168.5
[M+Na-2H]- 142.02743 127.6
[M]+ 121.05222 121.7
[M]- 121.05331 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe